6-(Cyanomethyl)nicotinonitrile
CAS No.:
1000516-33-5
M. Wt:
143.15
M. Fa:
C8H5N3
InChI Key:
XPIUYPRKILGRTK-UHFFFAOYSA-N
Appearance:
Pale-yellow Solid
Names and Identifiers of 6-(Cyanomethyl)nicotinonitrile
CAS Number |
1000516-33-5 |
|---|---|
MDL Number |
MFCD09924285 |
IUPAC Name |
6-(cyanomethyl)pyridine-3-carbonitrile |
InChI |
InChI=1S/C8H5N3/c9-4-3-8-2-1-7(5-10)6-11-8/h1-2,6H,3H2 |
InChIKey |
XPIUYPRKILGRTK-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC(=NC=C1C#N)CC#N |
Physical and chemical properties of 6-(Cyanomethyl)nicotinonitrile
Acidity coefficient |
-0.27±0.22(Predicted) |
|---|---|
Boiling Point |
319.1±32.0 °C(Predicted) |
Density |
1.19±0.1 g/cm3(Predicted) |
H Bond Acceptors |
3 |
H Bond Donors |
0 |
LogP |
0.693217059 |
Molecular Formula |
C8H5N3 |
Molecular Weight |
143.15 |
Storage condition |
Inert atmosphere,Room Temperature |
Safety Information of 6-(Cyanomethyl)nicotinonitrile
Applications of 6-(Cyanomethyl)nicotinonitrile
6-(Cyanomethyl)nicotinonitrile has potential applications in various fields:
- Pharmaceuticals: Due to its structural similarity to biologically active compounds, it may serve as a lead compound in drug development.
- Agricultural Chemicals: Its properties may be harnessed in the synthesis of agrochemicals, particularly those targeting pest control.
- Material Science: The compound could be explored for use in advanced materials due to its unique electronic properties.
Interaction Studies of 6-(Cyanomethyl)nicotinonitrile
Interaction studies involving 6-(Cyanomethyl)nicotinonitrile focus on its reactivity with biological molecules and other chemical species:
- Binding Studies: Investigating how this compound interacts with enzymes or receptors could reveal insights into its potential therapeutic effects.
- Reactivity Profiling: Understanding how it reacts with various nucleophiles and electrophiles can help predict its behavior in biological systems and synthetic pathways.
Physical sample testing spectrum (NMR) of 6-(Cyanomethyl)nicotinonitrile
